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Compile Data Set for Download or QSAR

Found 8 hits of ic50 data for polymerid = 50000341   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trypsin


(Homo sapiens)
BDBM50067898
PNG
(3-(5-(dimethylamino)naphthalene-1-sulfonamido)phen...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)B(O)O
Show InChI InChI=1S/C18H19BN2O4S/c1-21(2)17-10-4-9-16-15(17)8-5-11-18(16)26(24,25)20-14-7-3-6-13(12-14)19(22)23/h3-12,20,22-23H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Compound was tested for its specificity against beta-trypsin


J Med Chem 41: 4577-86 (1998)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens)
BDBM50067888
PNG
((3R)-tetrahydrofuran boronic acid | CHEMBL140723)
Show SMILES OB(O)[C@@H]1CCOC1
Show InChI InChI=1S/C4H9BO3/c6-5(7)4-1-2-8-3-4/h4,6-7H,1-3H2/t4-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Compound was tested for its specificity against beta-trypsin


J Med Chem 41: 4577-86 (1998)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens)
BDBM50067887
PNG
(3-NITROPHENYLBORONIC ACID | 3-Nitro-phenyl-1-dihyd...)
Show SMILES O[B-](=[OH+])c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
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n/an/a>2.00E+5n/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Compound was tested for its specificity against beta-trypsin


J Med Chem 41: 4577-86 (1998)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens)
BDBM50067899
PNG
(2-Thiopheneboronicacid | CHEMBL141272 | Thiophene-...)
Show SMILES OB(O)c1cccs1
Show InChI InChI=1S/C4H5BO2S/c6-5(7)4-2-1-3-8-4/h1-3,6-7H
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n/an/a>2.00E+5n/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Compound was tested for its specificity against beta-trypsin


J Med Chem 41: 4577-86 (1998)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens)
BDBM26139
PNG
(1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...)
Show SMILES OB(O)c1cc2ccccc2s1
Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
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n/an/a>2.00E+5n/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Compound was tested for its specificity against beta-trypsin


J Med Chem 41: 4577-86 (1998)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens)
BDBM26124
PNG
(CHEMBL336239 | Phenylboronic Acid, 3 | [3-(trifluo...)
Show SMILES OB(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C7H6BF3O2/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13H
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n/an/a>2.00E+5n/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Compound was tested for its specificity against beta-trypsin


J Med Chem 41: 4577-86 (1998)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens)
BDBM50067891
PNG
(5-chlorothiophen-2-ylboronic acid | 5-chlorothiphe...)
Show SMILES OB(O)c1ccc(Cl)s1
Show InChI InChI=1S/C4H4BClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H
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n/an/a>2.00E+5n/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Compound was tested for its specificity against beta-trypsin


J Med Chem 41: 4577-86 (1998)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens)
BDBM26140
PNG
(1-benzofuran-2-ylboranediol | 1-benzofuran-2-ylbor...)
Show SMILES OB(O)c1cc2ccccc2o1
Show InChI InChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
PDB
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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Compound was tested for its specificity against beta-trypsin


J Med Chem 41: 4577-86 (1998)

More data for this
Ligand-Target Pair